Using protochirons for three-dimensional coding of certain chemical structures.
Publikation: Beiträge in Zeitschriften › Zeitschriftenaufsätze › Forschung › begutachtet
Authors
For three-dimensional coding (including enantiomerism) of staggered paths and circuits on the diamond
lattice, or paths/circuits with angles 90° or 180° on the cubic lattice, use is made of the previously defined
paths-3 (paths of length three bonds defining two intersecting planes). The two cases mentioned above are
examined and exemplified. In the diamond lattice there are three kinds of diamond-paths-3: one is achiral
(Z) and two are chiral and enantiomeric (R and S). In the cubic lattice there are six kinds of orthopaths-3,
of which only two are chiral and enantiomeric (R and S) and four are achiral (I, L, U, and Z). The chiral
paths-3 are the previously defined protochirons in the respective lattice. Coding ascribes to each bond the
letter that would characterize it if it were the central bond of an isolated path-3. To obtain a unique code out
of several equally correct ones it is proposed to use the convention of inverse alphabetic priority in the
above system of letters.
lattice, or paths/circuits with angles 90° or 180° on the cubic lattice, use is made of the previously defined
paths-3 (paths of length three bonds defining two intersecting planes). The two cases mentioned above are
examined and exemplified. In the diamond lattice there are three kinds of diamond-paths-3: one is achiral
(Z) and two are chiral and enantiomeric (R and S). In the cubic lattice there are six kinds of orthopaths-3,
of which only two are chiral and enantiomeric (R and S) and four are achiral (I, L, U, and Z). The chiral
paths-3 are the previously defined protochirons in the respective lattice. Coding ascribes to each bond the
letter that would characterize it if it were the central bond of an isolated path-3. To obtain a unique code out
of several equally correct ones it is proposed to use the convention of inverse alphabetic priority in the
above system of letters.
Titel in Übersetzung | Verwendung von Protochirons für dreidimensionale Codierung bestimmter chemischer Strukturen. |
---|---|
Originalsprache | Englisch |
Zeitschrift | Journal of Chemical Information and Computer Science |
Jahrgang | 41 |
Ausgabenummer | 5 |
Seiten (von - bis) | 1145-1149 |
Anzahl der Seiten | 5 |
ISSN | 0095-2338 |
DOIs | |
Publikationsstatus | Erschienen - 21.08.2001 |
Extern publiziert | Ja |
- Chemie